4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane

C14H24O2 — CID 23286497

IUPAC4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane
SMILESC=C(CCC=C(C)C)C1OCC(C)C(C)O1
InChIInChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)14-15-9-12(4)13(5)16-14/h7,12-14H,3,6,8-9H2,1-2,4-5H3
InChIKeyQHQZNOYXMFQLAL-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds4

About 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane

4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane (PubChem CID 23286497) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane
PubChem CID23286497
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane
SMILESC=C(CCC=C(C)C)C1OCC(C)C(C)O1
InChIInChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)14-15-9-12(4)13(5)16-14/h7,12-14H,3,6,8-9H2,1-2,4-5H3
InChIKeyQHQZNOYXMFQLAL-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane?
The IUPAC name of 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane (CID 23286497) is 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane.
What is the SMILES notation for 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane?
The canonical SMILES for 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane is C=C(CCC=C(C)C)C1OCC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane?
The InChIKey is QHQZNOYXMFQLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)14-15-9-12(4)13(5)16-14/h7,12-14H,3,6,8-9H2,1-2,4-5H3.
What are the key properties of 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane?
4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxane is sourced from PubChem (CID 23286497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).